phenyl 6-(1-formamido-3-oxidanylidene-propyl)-3-iodanyl-2-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-3-iodanyl-2-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2-benzyl-6-(1-formamido-3-oxo-propyl)-3-iodo-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-3-iodo-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-benzyl-6-(1-formamido-3-oxopropyl)-3-iodobenzenesulfonate Traditional Name: 2-benzyl-6-(1-formamido-3-keto-propyl)-3-iodo-benzenesulfonic acid phenyl ester Formula: C23H20INO5S MolecularWeight: 549.37807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O)I

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O)I

InChI

InChI=1S/C23H20INO5S/c24-21-12-11-19(22(13-14-26)25-16-27)23(20(21)15-17-7-3-1-4-8-17)31(28,29)30-18-9-5-2-6-10-18/h1-12,14,16,22H,13,15H2,(H,25,27)